5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one

C10H9NO3 — CID 105444699

IUPAC5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1ccc(O)cc1
InChIInChI=1S/C10H9NO3/c1-6-9(14-10(13)11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3,(H,11,13)
InChIKeyRQRBZTRULLCJAF-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.65
Rot. Bonds1

About 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one

5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one (PubChem CID 105444699) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one
PubChem CID105444699
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one
SMILESCc1[nH]c(=O)oc1-c1ccc(O)cc1
InChIInChI=1S/C10H9NO3/c1-6-9(14-10(13)11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3,(H,11,13)
InChIKeyRQRBZTRULLCJAF-UHFFFAOYSA-N
XLogP1.65
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-5-phenyl-3H-1,3-oxazol-2-one
CID 54169541
5-(4-tert-butylphenyl)-4-methyl-3H-1,3-oxazole-2-thione
CID 59755586
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
3-(4-hydroxyphenyl)-4-methyl-2H-1,2-oxazol-5-one
CID 84719617
azane;aziridin-2-one;4-methylphenol
CID 88801841
4-methylphenol
CID 70549076
4-(4-hydroxyphenyl)phenol;methanol
CID 159599615
4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 165451129
4-[4-(4-hydroxyphenyl)phenyl]phenol
CID 14496018
ethane;4-(4-methylphenyl)phenol
CID 161379556
ethane;formic acid;4-methylphenol
CID 143673297

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one?
The IUPAC name of 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one (CID 105444699) is 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one is Cc1[nH]c(=O)oc1-c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one?
The InChIKey is RQRBZTRULLCJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6-9(14-10(13)11-6)7-2-4-8(12)5-3-7/h2-5,12H,1H3,(H,11,13).
What are the key properties of 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one?
5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one has a molecular weight of 191.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4-methyl-3H-1,3-oxazol-2-one is sourced from PubChem (CID 105444699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).